Glycoside
...
GD133498

Name:
2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2,4-dihydroxyoxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:
C46H78O14

Smiles:
CCC(CCC(C)C1CCC2C3CCC4=CC(OC5C(COC6OCC(O)(CO)C6O)OC(O)C(OC6OC(C)C(O)C(O)C6O)C5O)CCC4(C)C3CCC12C)C(C)C

Aglycone:
CCC(CCC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)C

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.96
AlogP: 3.17 Num_rotatable_bonds: 14
MolWt: 855.12 Num_heavy_atoms: 60
TPSA: 217.22 NumAromaticRings: 0

Unique Aglycone
AD47995
Formula: C29H50O

Smiles:
CCC(CCC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 8.02 Num_rotatable_bonds: 6
MolWt: 414.72 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD07656

CC1OC(OC2C(O)OC(COC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O